3-cyanopropyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCCC#N)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCCC#N)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H20N2O6S/c1-22-14-5-4-13(16(19)24-9-3-2-6-17)12-15(14)25(20,21)18-7-10-23-11-8-18/h4-5,12H,2-3,7-11H2,1H3